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2L88
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BU of 2l88 by Molmil
Solution structure of all parallel G-quadruplex formed by the oncogene RET promoter sequence
Descriptor: 5'-D(*GP*GP*GP*GP*CP*GP*GP*GP*GP*CP*GP*GP*GP*GP*CP*GP*GP*GP*GP*T)-3'
Authors:Tong, X, Cao, C.
Deposit date:2011-01-06
Release date:2011-05-25
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Solution structure of all parallel G-quadruplex formed by the oncogene RET promoter sequence
Nucleic Acids Res., 39, 2011
1WWN
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BU of 1wwn by Molmil
NMR Solution Structure of BmK-betaIT, an Excitatory Scorpion Toxin from Buthus martensi Karsch
Descriptor: Excitatory insect selective toxin 1
Authors:Wu, H, Tong, X, Chen, X, Zhang, Q, Zheng, X, Zhang, N, Wu, G.
Deposit date:2005-01-10
Release date:2006-01-17
Last modified:2022-03-02
Method:SOLUTION NMR
Cite:NMR solution structure of BmK-betaIT, an excitatory scorpion beta-toxin without a 'hot spot' at the relevant position
Biochem.Biophys.Res.Commun., 349, 2006
3VCB
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BU of 3vcb by Molmil
C425S mutant of the C-terminal cytoplasmic domain of non-structural protein 4 from mouse hepatitis virus A59
Descriptor: RNA-directed RNA polymerase
Authors:Xu, X, Lou, Z, Ma, Y, Chen, X, Yang, Z, Tong, X, Zhao, Q, Xu, Y, Deng, H, Bartlam, M, Rao, Z.
Deposit date:2012-01-03
Release date:2012-01-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of the C-terminal cytoplasmic domain of non-structural protein 4 from mouse hepatitis virus A59.
Plos One, 4, 2009
3VC8
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BU of 3vc8 by Molmil
Crystal structure of the C-terminal cytoplasmic domain of non-structural protein 4 from mouse hepatitis virus A59
Descriptor: RNA-directed RNA polymerase
Authors:Xu, X, Lou, Z, Ma, Y, Chen, X, Yang, Z, Tong, X, Zhao, Q, Xu, Y, Deng, H, Bartlam, M, Rao, Z.
Deposit date:2012-01-03
Release date:2012-01-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of the C-terminal cytoplasmic domain of non-structural protein 4 from mouse hepatitis virus A59.
Plos One, 4, 2009
1WT8
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BU of 1wt8 by Molmil
Solution Structure of BmP08 from the Venom of Scorpion Buthus martensii Karsch, 20 structures
Descriptor: Neurotoxin BmK X
Authors:Wu, H, Chen, X, Tong, X, Li, Y, Zhang, N, Wu, G.
Deposit date:2004-11-17
Release date:2005-04-19
Last modified:2022-03-02
Method:SOLUTION NMR
Cite:Solution structure of BmP08, a novel short-chain scorpion toxin from Buthus martensi Karsch.
Biochem.Biophys.Res.Commun., 330, 2005
2FM2
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BU of 2fm2 by Molmil
HCV NS3-4A protease domain complexed with a ketoamide inhibitor, SCH446211
Descriptor: BETA-MERCAPTOETHANOL, NS3 protease/helicase, NS4a protein, ...
Authors:Yi, M, Tong, X, Skelton, A, Chase, R, Chen, T, Prongay, A, Bogen, S.L, Saksena, A.K, Njoroge, F.G, Veselenak, R.L, Pyles, R.B, Bourne, N, Malcolm, B.A, Lemon, S.M.
Deposit date:2006-01-06
Release date:2006-02-07
Last modified:2022-12-21
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Mutations conferring resistance to SCH6, a novel hepatitis C virus NS3/4A protease inhibitor. Reduced RNA replication fitness and partial rescue by second-site mutations
J.Biol.Chem., 281, 2006
2LGL
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BU of 2lgl by Molmil
NMR structure of the UHRF1 PHD domain
Descriptor: E3 ubiquitin-protein ligase UHRF1, ZINC ION
Authors:Wang, C, Shen, J, Yang, Z, Chen, P, Zhao, B, Hu, W, Lan, W, Tong, X, Wu, H, Li, G, Cao, C.
Deposit date:2011-07-28
Release date:2011-09-28
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structural basis for site-specific reading of unmodified R2 of histone H3 tail by UHRF1 PHD finger.
Cell Res., 21, 2011
2LGG
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BU of 2lgg by Molmil
Structure of PHD domain of UHRF1 in complex with H3 peptide
Descriptor: E3 ubiquitin-protein ligase UHRF1, ZINC ION, histone H3 peptide
Authors:Wang, C, Shen, J, Yang, Z, Chen, P, Zhao, B, Hu, W, Lan, W, Tong, X, Wu, H, Li, G, Cao, C.
Deposit date:2011-07-26
Release date:2011-09-28
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structural basis for site-specific reading of unmodified R2 of histone H3 tail by UHRF1 PHD finger.
Cell Res., 21, 2011
2LGK
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BU of 2lgk by Molmil
NMR Structure of UHRF1 PHD domains in a complex with histone H3 peptide
Descriptor: E3 ubiquitin-protein ligase UHRF1, ZINC ION, histone H3 peptide
Authors:Wang, C, Shen, J, Yang, Z, Chen, P, Zhao, B, Hu, W, Lan, W, Tong, X, Wu, H, Li, G, Cao, C.
Deposit date:2011-07-28
Release date:2011-09-28
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structural basis for site-specific reading of unmodified R2 of histone H3 tail by UHRF1 PHD finger.
Cell Res., 21, 2011
3KNX
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BU of 3knx by Molmil
HCV NS3 protease domain with P1-P3 macrocyclic ketoamide inhibitor
Descriptor: (2R)-2-{(3S,13S,16aS,17aR,17bS)-13-[({(1S)-1-[(4,4-dimethyl-2,6-dioxopiperidin-1-yl)methyl]-2,2-dimethylpropyl}carbamoyl)amino]-17,17-dimethyl-1,14-dioxooctadecahydro-2H-cyclopropa[3,4]pyrrolo[1,2-a][1,4]diazacyclohexadecin-3-yl}-2-hydroxy-N-prop-2-en-1-ylethanamide, BETA-MERCAPTOETHANOL, HCV NS3 Protease, ...
Authors:Venkatraman, S, Velazquez, F, Wu, W, Blackman, M, Chen, K.X, Bogen, S, Nair, L, Tong, X, Chase, R, Hart, A, Agrawal, S, Pichardo, J, Prongay, A, Cheng, K.-C, Girijavallabhan, V, Piwinski, J, Shih, N.-Y, Njoroge, F.G.
Deposit date:2009-11-12
Release date:2010-10-27
Last modified:2021-10-13
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Discovery and structure-activity relationship of P1-P3 ketoamide derived macrocyclic inhibitors of hepatitis C virus NS3 protease.
J.Med.Chem., 52, 2009
2E0H
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BU of 2e0h by Molmil
Solution Structure of BmKalphaIT01, an alpha-insect toxin from the Venom of the Chinese Scorpion Buthus martensi Karsch
Descriptor: Alpha-neurotoxin TX12
Authors:Tong, X.T, Chen, X, Wu, H.M.
Deposit date:2006-10-08
Release date:2007-10-16
Last modified:2022-03-09
Method:SOLUTION NMR
Cite:Solution Structure of BmKalphaIT01, an alpha-Insect Toxin from the Venom of the Chinese Scorpion Buthus martensii Karsch
Biochemistry, 46, 2007
8TBE
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BU of 8tbe by Molmil
Co-crystal structure of SARS-CoV-2 Mpro with Pomotrelvir
Descriptor: 3C-like proteinase nsp5, Pomotrelvir bound form
Authors:Olland, A, Fontano, E, White, A.
Deposit date:2023-06-28
Release date:2023-08-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Evaluation of in vitro antiviral activity of SARS-CoV-2 M pro inhibitor pomotrelvir and cross-resistance to nirmatrelvir resistance substitutions.
Antimicrob.Agents Chemother., 67, 2023
6LKX
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BU of 6lkx by Molmil
The structure of PRRSV helicase
Descriptor: CITRIC ACID, GLYCEROL, RNA-dependent RNA polymerase, ...
Authors:Shi, Y.J, Tong, X.H, Peng, G.Q.
Deposit date:2019-12-20
Release date:2020-05-27
Last modified:2021-06-09
Method:X-RAY DIFFRACTION (2.998 Å)
Cite:Structural Characterization of the Helicase nsp10 Encoded by Porcine Reproductive and Respiratory Syndrome Virus.
J.Virol., 94, 2020
3CI9
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BU of 3ci9 by Molmil
Crystal Structure of the human HSBP1
Descriptor: Heat shock factor-binding protein 1
Authors:Liu, X, Xu, L, Liu, Y, Zhu, G, Zhang, X.C, Li, X, Rao, Z.
Deposit date:2008-03-11
Release date:2009-01-20
Last modified:2021-11-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of the hexamer of human heat shock factor binding protein 1
Proteins, 75, 2009
6L70
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BU of 6l70 by Molmil
Complex structure of PEDV 3CLpro with GC376
Descriptor: (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, PEDV main protease
Authors:Ye, G, Peng, G.Q.
Deposit date:2019-10-30
Release date:2020-04-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Structural Basis for Inhibiting Porcine Epidemic Diarrhea Virus Replication with the 3C-Like Protease Inhibitor GC376.
Viruses, 12, 2020
3N2N
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BU of 3n2n by Molmil
The Crystal Structure of Tumor Endothelial Marker 8 (TEM8) extracellular domain
Descriptor: ACETATE ION, Anthrax toxin receptor 1, MAGNESIUM ION
Authors:Fu, S, Tong, X.H, Wu, Y, Li, Y.Y, Rao, Z.H.
Deposit date:2010-05-18
Release date:2011-01-05
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The structure of tumor endothelial marker 8 (TEM8) extracellular domain and implications for its receptor function for recognizing anthrax toxin.
Plos One, 5, 2010
2KBJ
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BU of 2kbj by Molmil
solution structure of BmKalphaTx11 (minor conformation)
Descriptor: Toxin Bmka2
Authors:Zhu, J, Wu, H.
Deposit date:2008-11-28
Release date:2009-12-08
Last modified:2022-03-16
Method:SOLUTION NMR
Cite:Solution structure of BmKalphaTx11, a toxin from the venom of the Chinese scorpion Buthus martensii Karsch
Biochem.Biophys.Res.Commun., 391, 2010
2KBK
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BU of 2kbk by Molmil
Solution Structure of BmK-M10
Descriptor: Neurotoxin BmK-M10
Authors:Zhu, J, Wu, H.
Deposit date:2008-11-28
Release date:2009-12-22
Last modified:2019-12-11
Method:SOLUTION NMR
Cite:Solution Structure of BmK-M10
To be Published
2KBH
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BU of 2kbh by Molmil
solution structure of BmKalphaTx11 (major conformation)
Descriptor: Toxin Bmka2
Authors:Zhu, J, Wu, H.
Deposit date:2008-11-28
Release date:2009-12-08
Last modified:2019-12-11
Method:SOLUTION NMR
Cite:Solution structure of BmKalphaTx11, a toxin from the venom of the Chinese scorpion Buthus martensii Karsch
Biochem.Biophys.Res.Commun., 391, 2010
6JWD
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BU of 6jwd by Molmil
structure of RET G-quadruplex in complex with berberine
Descriptor: BERBERINE, DNA (5'-D(*GP*GP*GP*GP*CP*GP*GP*GP*GP*CP*GP*GP*GP*GP*CP*GP*GP*GP*GP*T)-3')
Authors:Wang, F, Wang, C, Liu, Y, Lan, W.X, Li, Y.M, Wang, R.X, Cao, C.
Deposit date:2019-04-19
Release date:2020-04-22
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Colchicine selective interaction with oncogene RET G-quadruplex revealed by NMR.
Chem.Commun.(Camb.), 56, 2020
6JWE
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BU of 6jwe by Molmil
structure of RET G-quadruplex in complex with colchicine
Descriptor: DNA (5'-D(*GP*GP*GP*GP*CP*GP*GP*GP*GP*CP*GP*GP*GP*GP*CP*GP*GP*GP*GP*T)-3'), N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]ethanamide
Authors:Wang, F, Wang, C, Liu, Y, Lan, W.X, Li, Y.M, Wang, R.X, Cao, C.
Deposit date:2019-04-20
Release date:2020-02-26
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Colchicine selective interaction with oncogene RET G-quadruplex revealed by NMR.
Chem.Commun.(Camb.), 56, 2020
3OPW
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BU of 3opw by Molmil
Crystal Structure of the Rph1 catalytic core
Descriptor: DNA damage-responsive transcriptional repressor RPH1
Authors:Chang, Y, Wu, J, Tong, X, Zhou, J, Ding, J.
Deposit date:2010-09-02
Release date:2010-12-22
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of the catalytic core of Saccharomyces cerevesiae histone demethylase Rph1: insights into the substrate specificity and catalytic mechanism
Biochem.J., 433, 2011
3OPT
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BU of 3opt by Molmil
Crystal structure of the Rph1 catalytic core with a-ketoglutarate
Descriptor: 2-OXOGLUTARIC ACID, DNA damage-responsive transcriptional repressor RPH1, NICKEL (II) ION
Authors:Chang, Y, Wu, J, Tong, X, Zhou, J, Ding, J.
Deposit date:2010-09-02
Release date:2010-12-22
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of the catalytic core of Saccharomyces cerevesiae histone demethylase Rph1: insights into the substrate specificity and catalytic mechanism
Biochem.J., 433, 2011
3LON
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BU of 3lon by Molmil
HCV NS3-4a protease domain with ketoamide inhibitor narlaprevir
Descriptor: (1R,2S,5S)-3-[N-({1-[(tert-butylsulfonyl)methyl]cyclohexyl}carbamoyl)-3-methyl-L-valyl]-N-{(1S)-1-[(1R)-2-(cyclopropylamino)-1-hydroxy-2-oxoethyl]pentyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, BETA-MERCAPTOETHANOL, Genome polyprotein, ...
Authors:Prongay, A.J.
Deposit date:2010-02-04
Release date:2011-01-19
Last modified:2021-10-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Candidate selection and preclinical evaluation culminating in the discovery of Narlaprevir (SCH 900518): A potent, selective and orally efficacious second generation HCV NS3 serine protease inhibitor
To be Published
3LOX
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BU of 3lox by Molmil
HCV NS3-4a protease domain with a ketoamide inhibitor derivative of Boceprevir bound
Descriptor: (1R,2S,5S)-N-[(2S,3R)-4-amino-1-cyclobutyl-3-hydroxy-4-oxobutan-2-yl]-6,6-dimethyl-3-{3-methyl-N-[(1-methylcyclohexyl)carbamoyl]-L-valyl}-3-azabicyclo[3.1.0]hexane-2-carboxamide, BETA-MERCAPTOETHANOL, HCV NS3 Protease, ...
Authors:Prongay, A.J.
Deposit date:2010-02-04
Release date:2011-02-23
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:The introduction of P4 substituted 1-methylcyclohexyl groups into Boceprevir: a change in direction in the search for a second generation HCV NS3 protease inhibitor.
Bioorg.Med.Chem.Lett., 20, 2010

 

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